2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde

C8H6F2INO2 — CID 130085753

IUPAC2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)F)nc1I
InChIInChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)6(7(9)10)12-8(5)11/h2-3,7H,1H3
InChIKeyVIFAINJEXHBZLP-UHFFFAOYSA-N
MW313.04 g/mol
LogP2.44
Rot. Bonds3

About 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde

2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde (PubChem CID 130085753) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
PubChem CID130085753
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde
SMILESCOc1cc(C=O)c(C(F)F)nc1I
InChIInChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)6(7(9)10)12-8(5)11/h2-3,7H,1H3
InChIKeyVIFAINJEXHBZLP-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carbaldehyde
CID 118808991
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
3-chloro-2-(difluoromethyl)-6-methoxypyridine-4-carbaldehyde
CID 130073917
5-amino-6-(difluoromethyl)-3-methoxypyridine-2-carbaldehyde
CID 130106113

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde (CID 130085753) is 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde is COc1cc(C=O)c(C(F)F)nc1I.
What is the InChIKey of 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde?
The InChIKey is VIFAINJEXHBZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2INO2/c1-14-5-2-4(3-13)6(7(9)10)12-8(5)11/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde?
2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde has a molecular weight of 313.04 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 130085753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).